3-(1,1-DiMethylheptyl)phenol synthesis
- Product Name:3-(1,1-DiMethylheptyl)phenol
- CAS Number:70120-12-6
- Molecular formula:C15H24O
- Molecular Weight:220.35
866398-21-2
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70120-12-6
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$640.00/100mg
Yield:70120-12-6 94%
Reaction Conditions:
Stage #1: 1-(1,1-dimethylheptyl)-3-methoxybenzenewith boron tribromide in dichloromethane; for 2 h;
Stage #2: with water in dichloromethane;
Steps:
1 3-(1,1-Dimethylheptyl)-phenol (5)
Compound 4 (4.08 g, 17.74 mmol) and boron tribromide 1 M in DCM (35 mL, 35 mmol) were stirred for 2 h. The mixture was poured onto ice and water (400 mL), and the aqueous layer extracted with DCM (30 mL), dried (MgSO4), and the solvent removed in vacuo. The residue was purified by flash chromatography, eluting with 20% EtOAc/cyclohexane to give the product as a brown oil (5) (3.66 g, 16.63 mmol, 94%):1H NMR (CDCl3) δ 7.19-7.14 (t, J=15, 1H), 6.92-6.89 (dd, J1=1, J2 1, 1H), 4.83 (bs, 1H), 1.59-1.53 (m, 2H), 1.27-1.25 (d, J=6, 6H), 1.21-1.18 (d, 6H), 0.86-0.82 (t, J=12, 3H);13C NMR (CDCl3) δ 155.20 (C, Ar), 152.11 (C, Ar), 129.06 (CH, Ar), 118.49 (CH, Ar), 113.12 (CH, Ar), 112.12 (CH, Ar), 44.60 (CH2), 31.80 (CH2), 30.04 (CH2), 28.93 (CH3), 24.68 (CH2), 22.69 (CH2), 14.11 (CH3);MS (ESP-) m/z 219.3 (M-1).
References:
US2008/262011,2008,A1 Location in patent:Page/Page column 15; 13
70120-10-4
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70120-12-6
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70120-09-1
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70120-12-6
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$640.00/100mg
70120-08-0
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70120-12-6
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21406-61-1
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70120-12-6
10 suppliers
$640.00/100mg